(2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid

C19H19NO3 — CID 119367745

IUPAC(2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)C1CCCc2ccccc21
InChIInChI=1S/C19H19NO3/c21-18(16-12-6-10-13-7-4-5-11-15(13)16)20-17(19(22)23)14-8-2-1-3-9-14/h1-5,7-9,11,16-17H,6,10,12H2,(H,20,21)(H,22,23)/t16?,17-/m1/s1
InChIKeyXOWCCGAQKBETLT-ZYMOGRSISA-N
MW309.37 g/mol
LogP3.05
Rot. Bonds4

About (2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid

(2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid (PubChem CID 119367745) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid
PubChem CID119367745
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)C1CCCc2ccccc21
InChIInChI=1S/C19H19NO3/c21-18(16-12-6-10-13-7-4-5-11-15(13)16)20-17(19(22)23)14-8-2-1-3-9-14/h1-5,7-9,11,16-17H,6,10,12H2,(H,20,21)(H,22,23)/t16?,17-/m1/s1
InChIKeyXOWCCGAQKBETLT-ZYMOGRSISA-N
XLogP3.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 57256640
N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42889430
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
N-[1-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55576544
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 79245874
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
N-(4-hydroxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 115734909
3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 138005426
(2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid
CID 119238189
N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114307725
methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate
CID 43423445
N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63755728

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid?
The IUPAC name of (2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid (CID 119367745) is (2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1)C1CCCc2ccccc21.
What is the InChIKey of (2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid?
The InChIKey is XOWCCGAQKBETLT-ZYMOGRSISA-N. The full InChI is InChI=1S/C19H19NO3/c21-18(16-12-6-10-13-7-4-5-11-15(13)16)20-17(19(22)23)14-8-2-1-3-9-14/h1-5,7-9,11,16-17H,6,10,12H2,(H,20,21)(H,22,23)/t16?,17-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid?
(2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid has a molecular weight of 309.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid is sourced from PubChem (CID 119367745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).